CID 142958490

C17H24O2S2 — CID 142958490

IUPAC—
SMILESC=C[C@@H]1COC2(CCCC3=CC4(CC[C@@]32C)SCCS4)O1
InChIInChI=1S/C17H24O2S2/c1-3-14-12-18-17(19-14)6-4-5-13-11-16(20-9-10-21-16)8-7-15(13,17)2/h3,11,14H,1,4-10,12H2,2H3/t14-,15+,17?/m1/s1
InChIKeyXNTKFWFZWSPLEE-CKDQBVIESA-N
MW324.51 g/mol
LogP4.37
Rot. Bonds1

About CID 142958490

CID 142958490 (PubChem CID 142958490) has the molecular formula C17H24O2S2 and a molecular weight of 324.51 g/mol.

Molecular Properties

Compound NameCID 142958490
PubChem CID142958490
Molecular FormulaC17H24O2S2
Molecular Weight324.51 g/mol
Exact Mass324.12
IUPAC Name—
SMILESC=C[C@@H]1COC2(CCCC3=CC4(CC[C@@]32C)SCCS4)O1
InChIInChI=1S/C17H24O2S2/c1-3-14-12-18-17(19-14)6-4-5-13-11-16(20-9-10-21-16)8-7-15(13,17)2/h3,11,14H,1,4-10,12H2,2H3/t14-,15+,17?/m1/s1
InChIKeyXNTKFWFZWSPLEE-CKDQBVIESA-N
XLogP4.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 142958490?
The IUPAC name of CID 142958490 (CID 142958490) is not available.
What is the SMILES notation for CID 142958490?
The canonical SMILES for CID 142958490 is C=C[C@@H]1COC2(CCCC3=CC4(CC[C@@]32C)SCCS4)O1.
What is the InChIKey of CID 142958490?
The InChIKey is XNTKFWFZWSPLEE-CKDQBVIESA-N. The full InChI is InChI=1S/C17H24O2S2/c1-3-14-12-18-17(19-14)6-4-5-13-11-16(20-9-10-21-16)8-7-15(13,17)2/h3,11,14H,1,4-10,12H2,2H3/t14-,15+,17?/m1/s1.
What are the key properties of CID 142958490?
CID 142958490 has a molecular weight of 324.51 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142958490 is sourced from PubChem (CID 142958490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).